2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride

C10H8Cl2O4S4 — CID 102373613

IUPAC2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1C=CC=C1SSC1=CC=CC1S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl2O4S4/c11-19(13,14)9-5-1-3-7(9)17-18-8-4-2-6-10(8)20(12,15)16/h1-6,9-10H
InChIKeyRYFOVRHLTTWSDC-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.15
Rot. Bonds5

About 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride

2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride (PubChem CID 102373613) has the molecular formula C10H8Cl2O4S4 and a molecular weight of 391.34 g/mol. Its IUPAC name is 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride
PubChem CID102373613
Molecular FormulaC10H8Cl2O4S4
Molecular Weight391.34 g/mol
Exact Mass389.87
IUPAC Name2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1C=CC=C1SSC1=CC=CC1S(=O)(=O)Cl
InChIInChI=1S/C10H8Cl2O4S4/c11-19(13,14)9-5-1-3-7(9)17-18-8-4-2-6-10(8)20(12,15)16/h1-6,9-10H
InChIKeyRYFOVRHLTTWSDC-UHFFFAOYSA-N
XLogP3.15
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}

Analyze 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride?
The IUPAC name of 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride (CID 102373613) is 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride.
What is the SMILES notation for 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride?
The canonical SMILES for 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride is O=S(=O)(Cl)C1C=CC=C1SSC1=CC=CC1S(=O)(=O)Cl.
What is the InChIKey of 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride?
The InChIKey is RYFOVRHLTTWSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2O4S4/c11-19(13,14)9-5-1-3-7(9)17-18-8-4-2-6-10(8)20(12,15)16/h1-6,9-10H.
What are the key properties of 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride?
2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride has a molecular weight of 391.34 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorosulfonylcyclopenta-1,3-dien-1-yl)disulfanyl]cyclopenta-2,4-diene-1-sulfonyl chloride is sourced from PubChem (CID 102373613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).